10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline

C28H20BrN — CID 118003312

IUPAC10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc4ccc5cccnc5c34)cc21
InChIInChI=1S/C28H20BrN/c1-28(2)24-15-19(10-12-22(24)23-13-11-20(29)16-25(23)28)21-7-3-5-17-8-9-18-6-4-14-30-27(18)26(17)21/h3-16H,1-2H3
InChIKeyBMQXAWPJSXFPHJ-UHFFFAOYSA-N
MW450.38 g/mol
LogP8.12
Rot. Bonds1

About 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline

10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline (PubChem CID 118003312) has the molecular formula C28H20BrN and a molecular weight of 450.38 g/mol. Its IUPAC name is 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline
PubChem CID118003312
Molecular FormulaC28H20BrN
Molecular Weight450.38 g/mol
Exact Mass449.08
IUPAC Name10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc4ccc5cccnc5c34)cc21
InChIInChI=1S/C28H20BrN/c1-28(2)24-15-19(10-12-22(24)23-13-11-20(29)16-25(23)28)21-7-3-5-17-8-9-18-6-4-14-30-27(18)26(17)21/h3-16H,1-2H3
InChIKeyBMQXAWPJSXFPHJ-UHFFFAOYSA-N
XLogP8.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.38
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(4-Bromophenyl)quinoline
CID 122474029
(1R,8S,10S)-3-bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-(quinolin-4-ylmethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 118718011
2-(10-Bromoanthracen-9-yl)pyridine
CID 138593628
(1S,14S,15S,18R,19R,22S,23R)-8-bromo-14,18-dimethyl-19-[(2R)-6-methylheptan-2-yl]-4-azahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaene
CID 71497773
1-(9,9-Dimethyl-9H-fluoren-2-yl)isoquinoline
CID 17859883
6-Bromobenzo[h]quinoline
CID 336112
7-Bromobenzo[h]quinoline
CID 12548908
10-Bromobenzo[h]quinoline
CID 14971962
DIBENZO(i,lmn)PHENANTHRIDINE
CID 32463
6-Bromo-5,8-dimethylquinoline
CID 155822446
(Z)-5-bromo-6-(2-(1,2-difluorophenanthren-3-yl)vinyl)quinoline
CID 167713741
8-[(Z)-2-fluoro-3-phenylprop-2-enyl]-5-naphthalen-2-ylquinoline
CID 176429979

Frequently Asked Questions

What is the IUPAC name of 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline?
The IUPAC name of 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline (CID 118003312) is 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline?
The canonical SMILES for 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline is CC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc4ccc5cccnc5c34)cc21.
What is the InChIKey of 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline?
The InChIKey is BMQXAWPJSXFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrN/c1-28(2)24-15-19(10-12-22(24)23-13-11-20(29)16-25(23)28)21-7-3-5-17-8-9-18-6-4-14-30-27(18)26(17)21/h3-16H,1-2H3.
What are the key properties of 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline?
10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline has a molecular weight of 450.38 g/mol, XLogP of 8.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-bromo-9,9-dimethylfluoren-2-yl)benzo[h]quinoline is sourced from PubChem (CID 118003312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).